Source:http://biocyc.org/biopax/biopax-level3ChemicalStructure126691
| Predicate | Object |
|---|---|
| rdf:type | |
| biopax3:structureData |
<cml> <molecule id="GLN" title="L-glutamine" formalCharge="0" dictRef="dictGLN"> <atomArray> <atom id="GLN-atom1" elementType="C" x2="1405.0" y2="1029.0"/> <atom id="GLN-atom2" elementType="C" x2="1475.0" y2="985.0"/> <atom id="GLN-atom3" elementType="C" x2="1333.0" y2="990.0"/> <atom id="GLN-atom4" elementType="N" x2="1407.0" y2="1111.0" formalCharge="1"/> <atom id="GLN-atom5" elementType="C" x2="1548.0" y2="1024.0"/> <atom id="GLN-atom6" elementType="O" x2="1264.0" y2="1037.0" formalCharge="-1"/> <atom id="GLN-atom7" elementType="O" x2="1334.0" y2="908.0"/> <atom id="GLN-atom8" elementType="C" x2="1618.0" y2="981.0"/> <atom id="GLN-atom9" elementType="N" x2="1690.0" y2="1020.0"/> <atom id="GLN-atom10" elementType="O" x2="1619.0" y2="898.0"/> </atomArray> <bondArray> <bond id="GLN-bond1" atomRefs="GLN-atom1 GLN-atom2" order="1"/> <bond id="GLN-bond2" atomRefs="GLN-atom1 GLN-atom3" order="1"/> <bond id="GLN-bond3" atomRefs="GLN-atom1 GLN-atom4" order="1"/> <bond id="GLN-bond4" atomRefs="GLN-atom2 GLN-atom5" order="1"/> <bond id="GLN-bond5" atomRefs="GLN-atom3 GLN-atom6" order="1"/> <bond id="GLN-bond6" atomRefs="GLN-atom3 GLN-atom7" order="2"/> <bond id="GLN-bond7" atomRefs="GLN-atom5 GLN-atom8" order="1"/> <bond id="GLN-bond8" atomRefs="GLN-atom8 GLN-atom9" order="1"/> <bond id="GLN-bond9" atomRefs="GLN-atom8 GLN-atom10" order="2"/> </bondArray> <formula concise="H 10 O 3 N 2 C 5"/> <float title="molecularWeight" units="g/mol">146.146</float> <string title="smiles">C(=O)([O-])C([N+])CCC(=O)N</string> </molecule> </cml>
|
| biopax3:structureFormat |
CML
|